N-(3-fluoro-5-sulfamoylphenyl)-3-(tetrazol-1-yl)benzamide

C14H11FN6O3S — CID 47068482

IUPACN-(3-fluoro-5-sulfamoylphenyl)-3-(tetrazol-1-yl)benzamide
SMILESNS(=O)(=O)c1cc(F)cc(NC(=O)c2cccc(-n3cnnn3)c2)c1
InChIInChI=1S/C14H11FN6O3S/c15-10-5-11(7-13(6-10)25(16,23)24)18-14(22)9-2-1-3-12(4-9)21-8-17-19-20-21/h1-8H,(H,18,22)(H2,16,23,24)
InChIKeyUKRADEHGVIOZPR-UHFFFAOYSA-N
MW362.35 g/mol
LogP0.70
Rot. Bonds4

About N-(3-fluoro-5-sulfamoylphenyl)-3-(tetrazol-1-yl)benzamide

N-(3-fluoro-5-sulfamoylphenyl)-3-(tetrazol-1-yl)benzamide (PubChem CID 47068482) has the molecular formula C14H11FN6O3S and a molecular weight of 362.35 g/mol. Its IUPAC name is N-(3-fluoro-5-sulfamoylphenyl)-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(3-fluoro-5-sulfamoylphenyl)-3-(tetrazol-1-yl)benzamide
PubChem CID47068482
Molecular FormulaC14H11FN6O3S
Molecular Weight362.35 g/mol
Exact Mass362.06
IUPAC NameN-(3-fluoro-5-sulfamoylphenyl)-3-(tetrazol-1-yl)benzamide
SMILESNS(=O)(=O)c1cc(F)cc(NC(=O)c2cccc(-n3cnnn3)c2)c1
InChIInChI=1S/C14H11FN6O3S/c15-10-5-11(7-13(6-10)25(16,23)24)18-14(22)9-2-1-3-12(4-9)21-8-17-19-20-21/h1-8H,(H,18,22)(H2,16,23,24)
InChIKeyUKRADEHGVIOZPR-UHFFFAOYSA-N
XLogP0.70
TPSA132.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(dimethylsulfamoyl)phenyl]-3-(tetrazol-1-yl)benzamide
CID 9494536
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
N-(2-fluoro-5-methylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide
CID 31930638
N-(4-bromo-3-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 26363553
methyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 862155
N-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide
CID 55700294
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(tetrazol-1-yl)benzamide
CID 862147
N-(4-morpholin-4-ylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide
CID 3718806
N-[4-(diethylamino)phenyl]-3-(tetrazol-1-yl)benzamide
CID 22110521
N-[2-(3-fluorophenyl)pyrazol-3-yl]-3-(tetrazol-1-yl)benzamide
CID 122138944
3-(tetrazol-1-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 18158615
3-amino-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 61117464

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-sulfamoylphenyl)-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(3-fluoro-5-sulfamoylphenyl)-3-(tetrazol-1-yl)benzamide (CID 47068482) is N-(3-fluoro-5-sulfamoylphenyl)-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(3-fluoro-5-sulfamoylphenyl)-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(3-fluoro-5-sulfamoylphenyl)-3-(tetrazol-1-yl)benzamide is NS(=O)(=O)c1cc(F)cc(NC(=O)c2cccc(-n3cnnn3)c2)c1.
What is the InChIKey of N-(3-fluoro-5-sulfamoylphenyl)-3-(tetrazol-1-yl)benzamide?
The InChIKey is UKRADEHGVIOZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN6O3S/c15-10-5-11(7-13(6-10)25(16,23)24)18-14(22)9-2-1-3-12(4-9)21-8-17-19-20-21/h1-8H,(H,18,22)(H2,16,23,24).
What are the key properties of N-(3-fluoro-5-sulfamoylphenyl)-3-(tetrazol-1-yl)benzamide?
N-(3-fluoro-5-sulfamoylphenyl)-3-(tetrazol-1-yl)benzamide has a molecular weight of 362.35 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-sulfamoylphenyl)-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 47068482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).